0 0 2 This is a remark line molecule.res MOL XYZ 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 O1 o M 3 2 1 1.540 111.208 180.000 -0.609 5 C1 c M 4 3 2 1.226nan0x7fffffff 90.000 0.641 6 C2 c3 M 5 4 3 1.498 123.287 -90.000 -0.169 7 H1 hc E 6 5 4 1.094 109.722 60.596 0.065 8 H2 hc E 6 5 4 1.094 109.722 -60.596 0.065 9 C3 c3 M 6 5 4 1.519 104.470 180.000 0.018 10 H3 hc E 9 6 5 1.096 110.371 -121.419 0.003 11 H4 hc E 9 6 5 1.096 110.371 121.419 0.003 12 C4 c3 M 9 6 5 1.524 108.817 0.000 0.018 13 H5 hc E 12 9 6 1.096 110.505 -121.337 0.003 14 H6 hc E 12 9 6 1.096 110.505 121.337 0.003 15 C5 c3 M 12 9 6 1.519 108.817 0.000 -0.169 16 H7 hc E 15 12 9 1.094 111.296 -118.337 0.065 17 H8 hc E 15 12 9 1.094 111.296 118.337 0.065 LOOP C5 C1 IMPROPER C5 C2 C1 O1 DONE STOP